4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide

C13H18N4O2 — CID 138992031

IUPAC4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H18N4O2/c1-2-10-9(7-14-8-16-10)12(18)17-11-5-3-4-6-15-13(11)19/h7-8,11H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyZTWSBKVDAPQOIM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.44
Rot. Bonds3

About 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide

4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide (PubChem CID 138992031) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide
PubChem CID138992031
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H18N4O2/c1-2-10-9(7-14-8-16-10)12(18)17-11-5-3-4-6-15-13(11)19/h7-8,11H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyZTWSBKVDAPQOIM-UHFFFAOYSA-N
XLogP0.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide (CID 138992031) is 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide is CCc1ncncc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is ZTWSBKVDAPQOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-10-9(7-14-8-16-10)12(18)17-11-5-3-4-6-15-13(11)19/h7-8,11H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide?
4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 138992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).